CID 209592

1-(isopropylamino)-3-p-phenetidino-2-propanol dihydrochloride

Structural Information

Molecular Formula
C14H24N2O2
SMILES
CCOC1=CC=C(C=C1)NCC(CNC(C)C)O
InChI
InChI=1S/C14H24N2O2/c1-4-18-14-7-5-12(6-8-14)16-10-13(17)9-15-11(2)3/h5-8,11,13,15-17H,4,9-10H2,1-3H3
InChIKey
DNLXCLGAMGRNRQ-UHFFFAOYSA-N
Compound name
1-(4-ethoxyanilino)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19106 162.2
[M+Na]+ 275.17300 165.5
[M-H]- 251.17650 163.7
[M+NH4]+ 270.21760 177.9
[M+K]+ 291.14694 163.5
[M+H-H2O]+ 235.18104 154.9
[M+HCOO]- 297.18198 184.0
[M+CH3COO]- 311.19763 200.7
[M+Na-2H]- 273.15845 164.5
[M]+ 252.18323 162.4
[M]- 252.18433 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.